SCHEMBL9218065

SCHEMBL9218065

CCN(CC)C(=O)N1CCc2cc(S(=O)(=O)c3cc(Cl)cc4c3NC(=O)C4(NCC3CCNCC3)c3ccccc3Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
KDM1A O60341 6/20 0.35
KDM1B Q8NB78 6/20 0.35
MAOB P27338 2/20 0.35
TP53 P04637 2/20 0.34
PTPN11 Q06124 2/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 4/20 0.34
ADRB1 P08588 4/20 0.34
MAPT P10636 2/20 0.34
ADRB3 P13945 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9220084 0.94 POLB (0.34) POLBKDM1AKDM1BMAOBTP53
SCHEMBL9221585 0.84 GPR119 (0.47) TSHR
SCHEMBL7466247 0.83 PTPN11 (0.39) POLBKDM1AKDM1BMAOBTP53
SCHEMBL9212836 0.83 ADRB2 (0.37) POLBTP53PTPN11LMNAADRB2
SCHEMBL9212184 0.83 NPSR1 (0.35) TP53MAPT
SCHEMBL7466955 0.77 PTPN11 (0.37) POLBTP53PTPN11LMNAMAPT
SCHEMBL9211583 0.76 NPSR1 (0.34)
Trifluoroacetic Acid SCHEMBL8742909 0.74 PTPN11 (0.35) POLBKDM1AKDM1BTP53PTPN11
SCHEMBL9218026 0.74 NPSR1 (0.39) MAPT
SCHEMBL7471039 0.69 NPSR1 (0.37) TP53LMNAMAPTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687251-A1 1,3-DIHYDROINDOL-2-ONE DERIVATIVES SUBSTITUTED IN POSITION 3 BY A NITROGEN GROUP AS VASOPRESSIN AND/OR OCYTOCINE AGONISTS AND/OR ANTAGONISTS SANOFI (FR) 1995-12-20 EP disclosed